1-[(2S)-5-(4-ethylphenyl)-5-methyl-hexan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2S)-5-(4-ethylphenyl)-5-methyl-hexan-2-yl]piperazin-4-ium Openeye Name: 1-[(1S)-4-(4-ethylphenyl)-1,4-dimethyl-pentyl]piperazin-4-ium CAS Name: 1-[(2S)-5-(4-ethylphenyl)-5-methylhexan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2S)-5-(4-ethylphenyl)-5-methylhexan-2-yl]piperazin-4-ium Traditional Name: 1-[(1S)-4-(4-ethylphenyl)-1,4-dimethyl-pentyl]piperazin-4-ium Formula: C19H33N2+ MolecularWeight: 289.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)(C)CCC(C)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)(C)CC[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C19H32N2/c1-5-17-6-8-18(9-7-17)19(3,4)11-10-16(2)21-14-12-20-13-15-21/h6-9,16,20H,5,10-15H2,1-4H3/p+1/t16-/m0/s1